[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(p-tolylmethyl)ammonium CAS Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [5-bromo-2-(4-fluorobenzyl)oxy-benzyl]-(4-methylbenzyl)ammonium Formula: C22H22BrFNO+ MolecularWeight: 415.318583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H21BrFNO/c1-16-2-4-17(5-3-16)13-25-14-19-12-20(23)8-11-22(19)26-15-18-6-9-21(24)10-7-18/h2-12,25H,13-15H2,1H3/p+1